Dye Adsorption by Modified Cotton. Steric and Energetic Interpretations of Model Parameter Behaviours by M. Khalfaoui, M.H.V. Baouab, R. Gauthier, A. Ben Lamine

“…The values of the model parameters were found to be related to the magnitude of the steric hindrance arising from the anchorage geometry of the dye molecule. Where the site density was high, a form of dimerization of the dye molecules was favoured. …”
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Unzipping of knotted DNA via nanopore translocation by Antonio Suma, Cristian Micheletti

“…DNA unzipping by nanopore translocation has implications in diverse contexts, from polymer physics to single-molecule manipulation to DNA–enzyme interactions in biological systems. …”
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Trichostatin A suppresses hearing loss by reducing oxidative stress and inflammation in an Alport syndrome model. by Yoon Seok Nam, Eun-Ji Gi, Yoo-Seung Ko, Sungsu Lee, Hyong-Ho Cho

“…These findings suggest that TSA represents a promising candidate molecule for mitigating the progression of hearing loss in AS.…”
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Density Functional Theoretical Computational Studies on 3-Methyl 2-Vinyl Pyridinium Phosphate by N. Kanagathara, V. J. Thanigaiarasu, V. Sabari, S. Elangovan

“…The dipole moment, total polarizability, and the first-order hyperpolarizability calculations have been carried out for the studied molecule. Hirshfeld surface analysis has been done to study the intermolecular interactions in the studied complex.…”
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Synthesis and Growth Stimulant Properties of 2-Acetyl-3,7-dimethyl-5H-thiazolo[3,2-a]pyrimidin-5-one Derivatives by Vergush A. Pivazyan, Emma A. Ghazaryan, Roza S. Shainova, Rafael A. Tamazyan, Armen G. Ayvazyan, Aleksandr P. Yengoyan

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Inflammatory Signalings Involved in Airway and Pulmonary Diseases by I-Ta Lee, Chuen-Mao Yang

“…Moreover, many of the known inflammatory target proteins, such as matrix metalloproteinase-9 (MMP-9), intercellular adhesion molecule-1 (ICAM-1), vascular cell adhesion molecule-1 (VCAM-1), cyclooxygenase-2 (COX-2), and cytosolic phospholipase A2 (cPLA2), are associated with airway and lung inflammation in response to various stimuli. …”
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Modeling the Liquid-Phase Adsorption of Cephalexin onto Coated Iron Nanoparticles Using Response Surface and Molecular Modeling by Shabnam Ahmadi, Soumya Ghosh, Alhadji Malloum, Charné Bornman, Christian Osagie, Leili Mohammadi, Chinenye Adaobi Igwegbe

“…Molecular-level DFT calculations on the CEX molecule were carried out. The PW6B95D3/Def2-TZVP level of theory was used to build DFT-based descriptors for the CEX molecule. …”
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The Role of Heme and Reactive Oxygen Species in Proliferation and Survival of Trypanosoma cruzi by Marcia Cristina Paes, Daniela Cosentino-Gomes, Cíntia Fernandes de Souza, Natália Pereira de Almeida Nogueira, José Roberto Meyer-Fernandes

“…Hemoglobin degradation inside the insect vector releases high amounts of heme, and this molecule is known to exert a number of physiological functions. …”
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Unraveling the Effect of Immunogenicity on the PK/PD, Efficacy, and Safety of Therapeutic Proteins by Alison Smith, Hugh Manoli, Stacey Jaw, Kimberley Frutoz, Alan L. Epstein, Leslie A. Khawli, Frank-Peter Theil

“…As this complex array of tools arises a distinct set of challenges is rarely encountered in the development of small molecule therapies. Biotherapeutics tend to be big, bulky, polar molecules comprised of protein and/or nucleic acids. …”
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M. Walker. Branching Is Not a Bug; It’s a Feature: Personal Identity and Legal (and Moral) Responsibility / trans. from Engl. V. A. Pilipenko by V. A. Pilipenko

“…Physical duplicates might be created by advanced nanobots tasked with creating molecule-for-molecule copies of individuals. Such possibilities are discussed in the philosophical literature as (putative) cases of ‘fission’: one person ‘splitting’ into two. …”
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Magnetochiral charge pumping due to charge trapping and skin effect in chirality-induced spin selectivity by Yufei Zhao, Kai Zhang, Jiewen Xiao, Kai Sun, Binghai Yan

“…Abstract Chirality-induced spin selectivity (CISS) generates giant spin polarization in transport through chiral molecules, paving the way for novel spintronic devices and enantiomer separation. …”
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Effects of operating parameters on dielectric barrier discharge non-thermal plasma ozone generator performance and NO Conversion by Chonpan Phurin, Theinnoi Kampanart, Iamcheerangkoon Teerapong, Promhuad Punya, Sittichompoo Sak

“…Findings reveal that increased discharge voltage and frequency enhance O3 and NO2 formation by raising free charge and energy, facilitating oxygen molecule dissociation and three-body collisions. Lower gas flow rates lead to higher specific energy density (SED) and thus greater O3 and NO2 concentrations due to longer oxygen molecule residence times. …”
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Ligand-Based Pharmacophore Modeling and Virtual Screening of RAD9 Inhibitors by Nirmal K. Prasad, Vishnupriya Kanakaveti, Siddhartha Eadlapalli, Ramakrishna Vadde, Angamba Potshangbam Meetei, Vaibhav Vindal

“…The bioactive molecules of natural origin act as excellent leads for new drug development. …”
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Cyanidin-Based Novel Organic Sensitizer for Efficient Dye-Sensitized Solar Cells: DFT/TDDFT Study by Kalpana Galappaththi, Andery Lim, Piyasiri Ekanayake, Mohammad Iskandar Petra

“…We consider modifications of cyanidin structure in order to obtain broader UV-Vis absorption and hence to achieve better performance in DSSC. The modified molecule consists of cyanidin and the benzothiadiazolylbenzoic acid group, where the benzothiadiazolylbenzoic acid group is attached to the cyanidin molecule by replacing one hydroxyl group. …”
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A Study of the Electronic Absorption and Emission Spectra of DBDMA Dye: Solvent Effect, Energy Transfer, and Fluorescence Quenching by Sadeq M. Al-Hazmy, Jameelah Al-Harby, Mohammed Hassan, Sabri Messaoudi, Ibrahim A. Alhagri, Ahmed N. Alhakimi

“…The rigidity of the DBDMA molecule is the main reason for the photochemical stability and the absence of a considerable shift as a result of the change in the polarity of the solvents. …”
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Photocatalytic Activity and Characterization of Carbon-Modified Titania for Visible-Light-Active Photodegradation of Nitrogen Oxides by Chun-Hung Huang, Yu-Ming Lin, I-Kai Wang, Chun-Mei Lu

“…Rising the carbon number of alcoholic precursor molecule, the modified titania showed increasing visible activities of NOx photodegradation. …”
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Analysis of the Cytokine Expression in the Aqueous Humor of Individuals with BRVO-Associated Macular Edema by Chengyi Zhu, Lanlan Pan, Qiong Yi, Qiping Wei

“…This study aimed to determine the expression levels of vascular endothelial growth factor (VEGF), interleukin-6 (IL-6), intercellular adhesion molecule-1 (ICAM-1), and vascular cell adhesion molecule-1 (VCAM-1) in the aqueous humor of patients with macular edema (ME) caused by branch retinal vein occlusion (BRVO), as well as to investigate the relationship between the cytokines as mentioned earlier and best-corrected visual acuity (BCVA), ME, and the degree of ME from the molecular level. …”
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Molecular dynamics model of mechanophore sensors for biological force measurement by Sumit Mittal, Rongsheng E. Wang, Robert Ros, Alison E. Ondrus, Abhishek Singharoy

“…Here we introduce a computational pipeline for force measurement that leverages well-defined, tunable release of a mechanically activated small molecule fluorophore. These sensors are characterized using a multiscale approach combining equilibrium and steered QM/MM molecular dynamics models to capture the chemical, mechanical, and conformational transitions underlying force activation thresholds on a nano Newton scale. …”
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Synthesis of Arginase Inhibitors: An Overview by Maria Cristina Molaro, Chiara Battisegola, Marica Erminia Schiano, Mariacristina Failla, Maria Grazia Rimoli, Loretta Lazzarato, Konstantin Chegaev, Federica Sodano

“…For each molecule, its inhibitory activity in terms of IC₅₀ towards ARG-1 and ARG-2 will be reported specifying the type of assay conducted.…”
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Potential application of proteolysis targeting chimera (PROTAC) modification technology in natural products for their targeted protein degradation by Guliang Yang, Haiyan Zhong, Xinxin Xia, Zhiwen Qi, Chengzhang Wang, Shiming Li

“…Proteolysis targeting chimera (PROTAC) is a type of bifunctional chimeric molecules that can directly degrade the binding proteins targeted by bioactive molecules in an ubiquitin-proteasome pathway. …”
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